2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2-aminoethyl)-8-chloro-3-ethylisoquinolin-1-one

C20H24ClN7O2 — CID 144824131

IUPAC2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2-aminoethyl)-8-chloro-3-ethylisoquinolin-1-one
SMILESCCc1cc2cccc(Cl)c2c(=O)n1CCN.NC(=O)c1c(N)nn2c1NCC=C2
InChIInChI=1S/C13H15ClN2O.C7H9N5O/c1-2-10-8-9-4-3-5-11(14)12(9)13(17)16(10)7-6-15;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h3-5,8H,2,6-7,15H2,1H3;1,3,10H,2H2,(H2,8,11)(H2,9,13)
InChIKeyGUJOIMJLELXELW-UHFFFAOYSA-N
MW429.91 g/mol
LogP1.64
Rot. Bonds4

About 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2-aminoethyl)-8-chloro-3-ethylisoquinolin-1-one

2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2-aminoethyl)-8-chloro-3-ethylisoquinolin-1-one (PubChem CID 144824131) has the molecular formula C20H24ClN7O2 and a molecular weight of 429.91 g/mol. Its IUPAC name is 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2-aminoethyl)-8-chloro-3-ethylisoquinolin-1-one.

Molecular Properties

Compound Name2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2-aminoethyl)-8-chloro-3-ethylisoquinolin-1-one
PubChem CID144824131
Molecular FormulaC20H24ClN7O2
Molecular Weight429.91 g/mol
Exact Mass429.17
IUPAC Name2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2-aminoethyl)-8-chloro-3-ethylisoquinolin-1-one
SMILESCCc1cc2cccc(Cl)c2c(=O)n1CCN.NC(=O)c1c(N)nn2c1NCC=C2
InChIInChI=1S/C13H15ClN2O.C7H9N5O/c1-2-10-8-9-4-3-5-11(14)12(9)13(17)16(10)7-6-15;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h3-5,8H,2,6-7,15H2,1H3;1,3,10H,2H2,(H2,8,11)(H2,9,13)
InChIKeyGUJOIMJLELXELW-UHFFFAOYSA-N
XLogP1.64
TPSA146.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-phenylisoquinolin-1-one
CID 144824029
2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-(1-ethylpyrazol-4-yl)-2-phenylisoquinolin-1-one
CID 144823985
2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-2-phenylisoquinolin-1-one
CID 144927019
2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde;8-chloro-3-ethyl-2-(2-methylsulfonylphenyl)isoquinolin-1-one;methanamine
CID 144824142
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;8-chloro-3-ethyl-2-(2-phenylethyl)isoquinolin-1-one
CID 144823958
2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one
CID 145415656
7-aminopyrazolo[1,5-b][1,2,4]triazine-8-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one
CID 145415648
2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-3-ethynyl-5-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 145057620
2-(2-aminosulfanylethyl)-8-chloro-3-ethylisoquinolin-1-one
CID 144823947
8-chloro-2-[2-(dimethylamino)ethyl]-3-ethylisoquinolin-1-one
CID 144823942
2-amino-N-[1-(8-amino-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 144824375
2-amino-N-[1-[1-oxo-2-phenyl-8-(2-phenylethynyl)isoquinolin-3-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 144825002

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2-aminoethyl)-8-chloro-3-ethylisoquinolin-1-one?
The IUPAC name of 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2-aminoethyl)-8-chloro-3-ethylisoquinolin-1-one (CID 144824131) is 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2-aminoethyl)-8-chloro-3-ethylisoquinolin-1-one.
What is the SMILES notation for 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2-aminoethyl)-8-chloro-3-ethylisoquinolin-1-one?
The canonical SMILES for 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2-aminoethyl)-8-chloro-3-ethylisoquinolin-1-one is CCc1cc2cccc(Cl)c2c(=O)n1CCN.NC(=O)c1c(N)nn2c1NCC=C2.
What is the InChIKey of 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2-aminoethyl)-8-chloro-3-ethylisoquinolin-1-one?
The InChIKey is GUJOIMJLELXELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O.C7H9N5O/c1-2-10-8-9-4-3-5-11(14)12(9)13(17)16(10)7-6-15;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h3-5,8H,2,6-7,15H2,1H3;1,3,10H,2H2,(H2,8,11)(H2,9,13).
What are the key properties of 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2-aminoethyl)-8-chloro-3-ethylisoquinolin-1-one?
2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2-aminoethyl)-8-chloro-3-ethylisoquinolin-1-one has a molecular weight of 429.91 g/mol, XLogP of 1.64, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2-aminoethyl)-8-chloro-3-ethylisoquinolin-1-one is sourced from PubChem (CID 144824131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).